USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot 180:sc= 0.33 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.05) USER MOD Single : A 1 ASN N :NH3+ -147:sc= 0.00446 (180deg=-0.472) USER MOD Single : A 8 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.1) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0496 USER MOD Single : A 11 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.7) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= -3.85 (180deg=-4.42!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.583 USER MOD Single : A 23 THR OG1 : rot -15:sc= 0.866 USER MOD Single : A 25 ASN : amide:sc= -2.72! K(o=-2.7!,f=0.25) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= -1.77 (180deg=-4.32!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= -2.7! (180deg=-5.37!) USER MOD Single : A 35 ASN : amide:sc= -3.22! C(o=-3.2!,f=-3.9!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 42 SER OG : rot 42:sc= 0.964 USER MOD Single : A 44 THR OG1 : rot -15:sc= 0.161 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -0.0506 (180deg=-0.459) USER MOD Single : A 51 SER OG : rot 100:sc= 0.44 USER MOD Single : A 52 SER OG : rot -47:sc= 0.7 USER MOD Single : A 56 HIS : no HE2:sc= 0.0109 K(o=0.011,f=-1.9) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00432 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0336 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 33.513 15.505 -10.170 1.00 0.00 N ATOM 2 CA ASN A 1 34.850 15.992 -10.616 1.00 0.00 C ATOM 3 C ASN A 1 35.926 15.537 -9.615 1.00 0.00 C ATOM 4 O ASN A 1 35.657 14.738 -8.738 1.00 0.00 O ATOM 5 CB ASN A 1 34.834 17.535 -10.705 1.00 0.00 C ATOM 6 CG ASN A 1 33.764 17.972 -11.713 1.00 0.00 C ATOM 7 OD1 ASN A 1 34.041 18.203 -12.873 1.00 0.00 O ATOM 8 ND2 ASN A 1 32.529 18.097 -11.308 1.00 0.00 N ATOM 0 H1 ASN A 1 32.924 15.296 -11.002 1.00 0.00 H new ATOM 0 H2 ASN A 1 33.630 14.641 -9.603 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.051 16.238 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 1 35.078 15.578 -11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 1 34.625 17.965 -9.726 1.00 0.00 H new ATOM 0 HB3 ASN A 1 35.813 17.903 -11.013 1.00 0.00 H new ATOM 0 HD21 ASN A 1 31.804 18.387 -11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 1 32.289 17.905 -10.335 1.00 0.00 H new ATOM 17 N PHE A 2 37.117 16.063 -9.778 1.00 0.00 N ATOM 18 CA PHE A 2 38.260 15.710 -8.875 1.00 0.00 C ATOM 19 C PHE A 2 38.219 16.492 -7.545 1.00 0.00 C ATOM 20 O PHE A 2 39.244 16.802 -6.969 1.00 0.00 O ATOM 21 CB PHE A 2 39.582 15.989 -9.656 1.00 0.00 C ATOM 22 CG PHE A 2 39.666 17.460 -10.119 1.00 0.00 C ATOM 23 CD1 PHE A 2 40.212 18.436 -9.304 1.00 0.00 C ATOM 24 CD2 PHE A 2 39.194 17.823 -11.367 1.00 0.00 C ATOM 25 CE1 PHE A 2 40.284 19.745 -9.725 1.00 0.00 C ATOM 26 CE2 PHE A 2 39.267 19.134 -11.791 1.00 0.00 C ATOM 27 CZ PHE A 2 39.813 20.097 -10.970 1.00 0.00 C ATOM 0 H PHE A 2 37.349 16.733 -10.511 1.00 0.00 H new ATOM 0 HA PHE A 2 38.194 14.658 -8.599 1.00 0.00 H new ATOM 0 HB2 PHE A 2 40.437 15.757 -9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 2 39.640 15.330 -10.522 1.00 0.00 H new ATOM 0 HD1 PHE A 2 40.586 18.168 -8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 2 38.764 17.074 -12.016 1.00 0.00 H new ATOM 0 HE1 PHE A 2 40.711 20.497 -9.078 1.00 0.00 H new ATOM 0 HE2 PHE A 2 38.896 19.406 -12.768 1.00 0.00 H new ATOM 0 HZ PHE A 2 39.871 21.123 -11.302 1.00 0.00 H new ATOM 37 N VAL A 3 37.022 16.781 -7.094 1.00 0.00 N ATOM 38 CA VAL A 3 36.817 17.537 -5.816 1.00 0.00 C ATOM 39 C VAL A 3 37.619 16.901 -4.667 1.00 0.00 C ATOM 40 O VAL A 3 37.641 15.694 -4.517 1.00 0.00 O ATOM 41 CB VAL A 3 35.302 17.538 -5.468 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.042 18.348 -4.174 1.00 0.00 C ATOM 43 CG2 VAL A 3 34.493 18.167 -6.626 1.00 0.00 C ATOM 0 H VAL A 3 36.158 16.519 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 3 37.170 18.560 -5.948 1.00 0.00 H new ATOM 0 HB VAL A 3 34.987 16.506 -5.316 1.00 0.00 H new ATOM 0 HG11 VAL A 3 33.976 18.338 -3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.594 17.901 -3.348 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.373 19.377 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.433 18.163 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.824 19.193 -6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.651 17.589 -7.536 1.00 0.00 H new ATOM 53 N CYS A 4 38.248 17.757 -3.901 1.00 0.00 N ATOM 54 CA CYS A 4 39.080 17.323 -2.736 1.00 0.00 C ATOM 55 C CYS A 4 38.779 17.999 -1.387 1.00 0.00 C ATOM 56 O CYS A 4 38.067 18.983 -1.338 1.00 0.00 O ATOM 57 CB CYS A 4 40.558 17.539 -3.104 1.00 0.00 C ATOM 58 SG CYS A 4 41.318 16.219 -4.077 1.00 0.00 S ATOM 0 H CYS A 4 38.218 18.767 -4.039 1.00 0.00 H new ATOM 0 HA CYS A 4 38.829 16.276 -2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 4 40.643 18.472 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 4 41.129 17.663 -2.184 1.00 0.00 H new ATOM 63 N PRO A 5 39.342 17.441 -0.327 1.00 0.00 N ATOM 64 CA PRO A 5 39.080 17.918 1.045 1.00 0.00 C ATOM 65 C PRO A 5 39.737 19.285 1.319 1.00 0.00 C ATOM 66 O PRO A 5 40.465 19.756 0.469 1.00 0.00 O ATOM 67 CB PRO A 5 39.688 16.826 1.961 1.00 0.00 C ATOM 68 CG PRO A 5 40.233 15.758 1.069 1.00 0.00 C ATOM 69 CD PRO A 5 40.291 16.301 -0.322 1.00 0.00 C ATOM 0 HA PRO A 5 38.014 18.069 1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.476 17.244 2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 5 38.930 16.419 2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.226 15.455 1.401 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.600 14.871 1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.300 16.626 -0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.004 15.545 -1.053 1.00 0.00 H new ATOM 77 N PRO A 6 39.475 19.880 2.462 1.00 0.00 N ATOM 78 CA PRO A 6 40.037 21.188 2.878 1.00 0.00 C ATOM 79 C PRO A 6 41.541 21.348 2.598 1.00 0.00 C ATOM 80 O PRO A 6 41.935 22.253 1.888 1.00 0.00 O ATOM 81 CB PRO A 6 39.777 21.204 4.407 1.00 0.00 C ATOM 82 CG PRO A 6 39.358 19.807 4.731 1.00 0.00 C ATOM 83 CD PRO A 6 38.597 19.384 3.536 1.00 0.00 C ATOM 0 HA PRO A 6 39.578 22.005 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.673 21.487 4.959 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.000 21.922 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.218 19.161 4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.743 19.772 5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.461 18.303 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.604 19.832 3.498 1.00 0.00 H new ATOM 91 N GLY A 7 42.308 20.455 3.173 1.00 0.00 N ATOM 92 CA GLY A 7 43.796 20.466 3.009 1.00 0.00 C ATOM 93 C GLY A 7 44.260 20.499 1.545 1.00 0.00 C ATOM 94 O GLY A 7 45.368 20.909 1.260 1.00 0.00 O ATOM 0 H GLY A 7 41.957 19.701 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.203 21.334 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.212 19.582 3.492 1.00 0.00 H new ATOM 98 N GLN A 8 43.392 20.068 0.666 1.00 0.00 N ATOM 99 CA GLN A 8 43.692 20.034 -0.794 1.00 0.00 C ATOM 100 C GLN A 8 42.768 20.974 -1.567 1.00 0.00 C ATOM 101 O GLN A 8 41.713 21.357 -1.103 1.00 0.00 O ATOM 102 CB GLN A 8 43.513 18.594 -1.273 1.00 0.00 C ATOM 103 CG GLN A 8 44.515 17.665 -0.571 1.00 0.00 C ATOM 104 CD GLN A 8 44.267 16.216 -1.004 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.572 15.822 -2.113 1.00 0.00 O ATOM 106 NE2 GLN A 8 43.716 15.390 -0.155 1.00 0.00 N ATOM 0 H GLN A 8 42.461 19.729 0.909 1.00 0.00 H new ATOM 0 HA GLN A 8 44.713 20.371 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.495 18.261 -1.070 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.656 18.543 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.535 17.960 -0.820 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.412 17.754 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 8 43.458 15.714 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.544 14.421 -0.424 1.00 0.00 H new ATOM 115 N THR A 9 43.218 21.319 -2.742 1.00 0.00 N ATOM 116 CA THR A 9 42.440 22.228 -3.632 1.00 0.00 C ATOM 117 C THR A 9 42.959 22.041 -5.062 1.00 0.00 C ATOM 118 O THR A 9 43.782 21.185 -5.326 1.00 0.00 O ATOM 119 CB THR A 9 42.650 23.684 -3.116 1.00 0.00 C ATOM 120 OG1 THR A 9 41.886 24.537 -3.958 1.00 0.00 O ATOM 121 CG2 THR A 9 44.108 24.160 -3.299 1.00 0.00 C ATOM 0 H THR A 9 44.107 21.004 -3.130 1.00 0.00 H new ATOM 0 HA THR A 9 41.372 22.011 -3.626 1.00 0.00 H new ATOM 0 HB THR A 9 42.375 23.710 -2.062 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.991 25.466 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.208 25.179 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 9 44.778 23.503 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.369 24.134 -4.357 1.00 0.00 H new ATOM 129 N PHE A 10 42.447 22.855 -5.943 1.00 0.00 N ATOM 130 CA PHE A 10 42.861 22.797 -7.376 1.00 0.00 C ATOM 131 C PHE A 10 44.386 22.973 -7.481 1.00 0.00 C ATOM 132 O PHE A 10 45.008 23.592 -6.640 1.00 0.00 O ATOM 133 CB PHE A 10 42.127 23.916 -8.134 1.00 0.00 C ATOM 134 CG PHE A 10 42.604 23.979 -9.594 1.00 0.00 C ATOM 135 CD1 PHE A 10 42.307 22.965 -10.487 1.00 0.00 C ATOM 136 CD2 PHE A 10 43.343 25.063 -10.031 1.00 0.00 C ATOM 137 CE1 PHE A 10 42.743 23.037 -11.792 1.00 0.00 C ATOM 138 CE2 PHE A 10 43.778 25.134 -11.334 1.00 0.00 C ATOM 139 CZ PHE A 10 43.479 24.122 -12.217 1.00 0.00 C ATOM 0 H PHE A 10 41.750 23.568 -5.729 1.00 0.00 H new ATOM 0 HA PHE A 10 42.602 21.833 -7.813 1.00 0.00 H new ATOM 0 HB2 PHE A 10 41.052 23.739 -8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 10 42.307 24.873 -7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 10 41.730 22.113 -10.160 1.00 0.00 H new ATOM 0 HD2 PHE A 10 43.581 25.861 -9.343 1.00 0.00 H new ATOM 0 HE1 PHE A 10 42.508 22.241 -12.483 1.00 0.00 H new ATOM 0 HE2 PHE A 10 44.355 25.985 -11.664 1.00 0.00 H new ATOM 0 HZ PHE A 10 43.820 24.178 -13.240 1.00 0.00 H new ATOM 149 N GLN A 11 44.930 22.414 -8.526 1.00 0.00 N ATOM 150 CA GLN A 11 46.398 22.493 -8.766 1.00 0.00 C ATOM 151 C GLN A 11 46.445 22.586 -10.299 1.00 0.00 C ATOM 152 O GLN A 11 45.972 21.684 -10.963 1.00 0.00 O ATOM 153 CB GLN A 11 47.049 21.189 -8.232 1.00 0.00 C ATOM 154 CG GLN A 11 48.565 21.350 -8.034 1.00 0.00 C ATOM 155 CD GLN A 11 48.850 22.373 -6.913 1.00 0.00 C ATOM 156 OE1 GLN A 11 49.816 23.108 -6.973 1.00 0.00 O ATOM 157 NE2 GLN A 11 48.056 22.467 -5.873 1.00 0.00 N ATOM 0 H GLN A 11 44.410 21.897 -9.235 1.00 0.00 H new ATOM 0 HA GLN A 11 46.926 23.314 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.586 20.912 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.858 20.374 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 11 49.010 20.388 -7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 11 49.028 21.680 -8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 11 47.239 21.861 -5.799 1.00 0.00 H new ATOM 0 HE22 GLN A 11 48.256 23.146 -5.138 1.00 0.00 H new ATOM 166 N THR A 12 47.000 23.649 -10.825 1.00 0.00 N ATOM 167 CA THR A 12 47.057 23.784 -12.314 1.00 0.00 C ATOM 168 C THR A 12 48.182 22.956 -12.949 1.00 0.00 C ATOM 169 O THR A 12 47.921 22.259 -13.911 1.00 0.00 O ATOM 170 CB THR A 12 47.216 25.298 -12.658 1.00 0.00 C ATOM 171 OG1 THR A 12 47.236 25.349 -14.079 1.00 0.00 O ATOM 172 CG2 THR A 12 48.569 25.894 -12.240 1.00 0.00 C ATOM 0 H THR A 12 47.411 24.419 -10.298 1.00 0.00 H new ATOM 0 HA THR A 12 46.132 23.389 -12.733 1.00 0.00 H new ATOM 0 HB THR A 12 46.422 25.845 -12.150 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.333 26.279 -14.372 1.00 0.00 H new ATOM 0 HG21 THR A 12 48.602 26.949 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.693 25.794 -11.162 1.00 0.00 H new ATOM 0 HG23 THR A 12 49.373 25.362 -12.748 1.00 0.00 H new ATOM 180 N CYS A 13 49.381 23.038 -12.419 1.00 0.00 N ATOM 181 CA CYS A 13 50.494 22.241 -13.019 1.00 0.00 C ATOM 182 C CYS A 13 51.044 21.167 -12.090 1.00 0.00 C ATOM 183 O CYS A 13 51.928 21.408 -11.289 1.00 0.00 O ATOM 184 CB CYS A 13 51.676 23.127 -13.416 1.00 0.00 C ATOM 185 SG CYS A 13 53.006 22.144 -14.157 1.00 0.00 S ATOM 0 H CYS A 13 49.632 23.611 -11.613 1.00 0.00 H new ATOM 0 HA CYS A 13 50.042 21.769 -13.891 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.344 23.887 -14.123 1.00 0.00 H new ATOM 0 HB3 CYS A 13 52.053 23.651 -12.538 1.00 0.00 H new ATOM 190 N ALA A 14 50.486 19.995 -12.230 1.00 0.00 N ATOM 191 CA ALA A 14 50.940 18.862 -11.387 1.00 0.00 C ATOM 192 C ALA A 14 50.529 17.521 -11.974 1.00 0.00 C ATOM 193 O ALA A 14 49.398 17.362 -12.378 1.00 0.00 O ATOM 194 CB ALA A 14 50.349 19.040 -10.010 1.00 0.00 C ATOM 0 H ALA A 14 49.739 19.778 -12.890 1.00 0.00 H new ATOM 0 HA ALA A 14 52.029 18.862 -11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 14 50.668 18.219 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 14 50.691 19.985 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 14 49.261 19.046 -10.079 1.00 0.00 H new ATOM 200 N SER A 15 51.455 16.597 -12.004 1.00 0.00 N ATOM 201 CA SER A 15 51.171 15.237 -12.557 1.00 0.00 C ATOM 202 C SER A 15 50.271 14.474 -11.566 1.00 0.00 C ATOM 203 O SER A 15 49.384 15.052 -10.967 1.00 0.00 O ATOM 204 CB SER A 15 52.517 14.520 -12.762 1.00 0.00 C ATOM 205 OG SER A 15 52.224 13.370 -13.543 1.00 0.00 O ATOM 0 H SER A 15 52.408 16.728 -11.665 1.00 0.00 H new ATOM 0 HA SER A 15 50.649 15.293 -13.512 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.232 15.167 -13.270 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.962 14.242 -11.807 1.00 0.00 H new ATOM 0 HG SER A 15 53.049 12.869 -13.710 1.00 0.00 H new ATOM 211 N SER A 16 50.524 13.201 -11.424 1.00 0.00 N ATOM 212 CA SER A 16 49.736 12.346 -10.502 1.00 0.00 C ATOM 213 C SER A 16 50.656 11.819 -9.389 1.00 0.00 C ATOM 214 O SER A 16 50.339 10.810 -8.788 1.00 0.00 O ATOM 215 CB SER A 16 49.131 11.189 -11.327 1.00 0.00 C ATOM 216 OG SER A 16 50.251 10.509 -11.878 1.00 0.00 O ATOM 0 H SER A 16 51.265 12.709 -11.924 1.00 0.00 H new ATOM 0 HA SER A 16 48.930 12.909 -10.031 1.00 0.00 H new ATOM 0 HB2 SER A 16 48.535 10.526 -10.700 1.00 0.00 H new ATOM 0 HB3 SER A 16 48.472 11.564 -12.110 1.00 0.00 H new ATOM 0 HG SER A 16 49.941 9.753 -12.419 1.00 0.00 H new ATOM 222 N CYS A 17 51.761 12.499 -9.145 1.00 0.00 N ATOM 223 CA CYS A 17 52.687 12.005 -8.057 1.00 0.00 C ATOM 224 C CYS A 17 52.595 12.907 -6.789 1.00 0.00 C ATOM 225 O CYS A 17 53.463 13.729 -6.571 1.00 0.00 O ATOM 226 CB CYS A 17 54.171 11.991 -8.576 1.00 0.00 C ATOM 227 SG CYS A 17 55.170 13.500 -8.724 1.00 0.00 S ATOM 0 H CYS A 17 52.057 13.345 -9.632 1.00 0.00 H new ATOM 0 HA CYS A 17 52.380 10.994 -7.790 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.723 11.315 -7.923 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.151 11.533 -9.565 1.00 0.00 H new ATOM 232 N PRO A 18 51.563 12.742 -5.978 1.00 0.00 N ATOM 233 CA PRO A 18 51.215 13.720 -4.920 1.00 0.00 C ATOM 234 C PRO A 18 52.340 14.052 -3.959 1.00 0.00 C ATOM 235 O PRO A 18 53.082 13.170 -3.571 1.00 0.00 O ATOM 236 CB PRO A 18 50.037 13.079 -4.168 1.00 0.00 C ATOM 237 CG PRO A 18 50.053 11.652 -4.564 1.00 0.00 C ATOM 238 CD PRO A 18 50.605 11.619 -5.957 1.00 0.00 C ATOM 0 HA PRO A 18 50.979 14.681 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.151 13.190 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.093 13.552 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 18 50.671 11.065 -3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.050 11.226 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.096 10.670 -6.171 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.820 11.748 -6.702 1.00 0.00 H new ATOM 246 N LYS A 19 52.418 15.318 -3.616 1.00 0.00 N ATOM 247 CA LYS A 19 53.481 15.731 -2.682 1.00 0.00 C ATOM 248 C LYS A 19 52.979 15.374 -1.294 1.00 0.00 C ATOM 249 O LYS A 19 51.789 15.304 -1.052 1.00 0.00 O ATOM 250 CB LYS A 19 53.763 17.255 -2.766 1.00 0.00 C ATOM 251 CG LYS A 19 52.544 18.126 -2.440 1.00 0.00 C ATOM 252 CD LYS A 19 53.021 19.595 -2.444 1.00 0.00 C ATOM 253 CE LYS A 19 51.865 20.538 -2.207 1.00 0.00 C ATOM 254 NZ LYS A 19 50.879 20.468 -3.325 1.00 0.00 N ATOM 0 H LYS A 19 51.799 16.060 -3.942 1.00 0.00 H new ATOM 0 HA LYS A 19 54.417 15.229 -2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.571 17.504 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.113 17.496 -3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 19 51.755 17.975 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 19 52.128 17.859 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.777 19.738 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 19 53.494 19.825 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.373 20.287 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.237 21.558 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 49.936 20.729 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 51.162 21.126 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 50.852 19.500 -3.704 1.00 0.00 H new ATOM 268 N THR A 20 53.923 15.167 -0.427 1.00 0.00 N ATOM 269 CA THR A 20 53.602 14.789 0.983 1.00 0.00 C ATOM 270 C THR A 20 54.747 15.201 1.909 1.00 0.00 C ATOM 271 O THR A 20 55.709 15.795 1.462 1.00 0.00 O ATOM 272 CB THR A 20 53.421 13.250 1.100 1.00 0.00 C ATOM 273 OG1 THR A 20 54.682 12.692 0.757 1.00 0.00 O ATOM 274 CG2 THR A 20 52.494 12.625 0.035 1.00 0.00 C ATOM 0 H THR A 20 54.919 15.243 -0.632 1.00 0.00 H new ATOM 0 HA THR A 20 52.681 15.298 1.268 1.00 0.00 H new ATOM 0 HB THR A 20 53.022 13.059 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.634 11.715 0.814 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.428 11.549 0.196 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.500 13.065 0.114 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.898 12.819 -0.958 1.00 0.00 H new ATOM 282 N CYS A 21 54.607 14.873 3.174 1.00 0.00 N ATOM 283 CA CYS A 21 55.685 15.221 4.150 1.00 0.00 C ATOM 284 C CYS A 21 56.977 14.504 3.728 1.00 0.00 C ATOM 285 O CYS A 21 58.064 14.857 4.143 1.00 0.00 O ATOM 286 CB CYS A 21 55.292 14.771 5.553 1.00 0.00 C ATOM 287 SG CYS A 21 53.958 15.649 6.405 1.00 0.00 S ATOM 0 H CYS A 21 53.802 14.385 3.567 1.00 0.00 H new ATOM 0 HA CYS A 21 55.835 16.301 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 21 55.012 13.719 5.497 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.181 14.831 6.181 1.00 0.00 H new ATOM 292 N GLU A 22 56.793 13.500 2.910 1.00 0.00 N ATOM 293 CA GLU A 22 57.939 12.702 2.388 1.00 0.00 C ATOM 294 C GLU A 22 58.419 13.486 1.157 1.00 0.00 C ATOM 295 O GLU A 22 59.557 13.899 1.049 1.00 0.00 O ATOM 296 CB GLU A 22 57.456 11.309 1.940 1.00 0.00 C ATOM 297 CG GLU A 22 58.633 10.362 1.564 1.00 0.00 C ATOM 298 CD GLU A 22 59.490 10.909 0.406 1.00 0.00 C ATOM 299 OE1 GLU A 22 58.967 10.941 -0.695 1.00 0.00 O ATOM 300 OE2 GLU A 22 60.623 11.266 0.685 1.00 0.00 O ATOM 0 H GLU A 22 55.879 13.195 2.577 1.00 0.00 H new ATOM 0 HA GLU A 22 58.717 12.559 3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.871 10.856 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 22 56.792 11.417 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 22 59.266 10.211 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 58.234 9.386 1.286 1.00 0.00 H new ATOM 307 N THR A 23 57.468 13.648 0.274 1.00 0.00 N ATOM 308 CA THR A 23 57.654 14.356 -1.015 1.00 0.00 C ATOM 309 C THR A 23 57.444 15.880 -0.896 1.00 0.00 C ATOM 310 O THR A 23 56.657 16.479 -1.601 1.00 0.00 O ATOM 311 CB THR A 23 56.661 13.691 -1.971 1.00 0.00 C ATOM 312 OG1 THR A 23 56.952 12.301 -1.926 1.00 0.00 O ATOM 313 CG2 THR A 23 56.975 14.030 -3.402 1.00 0.00 C ATOM 0 H THR A 23 56.521 13.295 0.410 1.00 0.00 H new ATOM 0 HA THR A 23 58.678 14.271 -1.377 1.00 0.00 H new ATOM 0 HB THR A 23 55.652 13.993 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 23 57.831 12.164 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 23 56.253 13.544 -4.058 1.00 0.00 H new ATOM 0 HG22 THR A 23 56.921 15.110 -3.540 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.979 13.683 -3.646 1.00 0.00 H new ATOM 321 N ARG A 24 58.179 16.457 0.016 1.00 0.00 N ATOM 322 CA ARG A 24 58.120 17.937 0.279 1.00 0.00 C ATOM 323 C ARG A 24 58.867 18.763 -0.761 1.00 0.00 C ATOM 324 O ARG A 24 58.764 19.974 -0.799 1.00 0.00 O ATOM 325 CB ARG A 24 58.737 18.230 1.631 1.00 0.00 C ATOM 326 CG ARG A 24 57.852 17.608 2.710 1.00 0.00 C ATOM 327 CD ARG A 24 58.408 17.826 4.126 1.00 0.00 C ATOM 328 NE ARG A 24 59.699 17.089 4.257 1.00 0.00 N ATOM 329 CZ ARG A 24 60.465 17.245 5.308 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.117 18.056 6.272 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.579 16.568 5.358 1.00 0.00 N ATOM 0 H ARG A 24 58.839 15.955 0.610 1.00 0.00 H new ATOM 0 HA ARG A 24 57.067 18.216 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.745 17.820 1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 24 58.822 19.306 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.852 18.036 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.754 16.539 2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.560 18.889 4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.694 17.472 4.870 1.00 0.00 H new ATOM 0 HE ARG A 24 59.990 16.453 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.241 18.575 6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 24 60.721 18.170 7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.830 15.941 4.593 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.199 16.665 6.162 1.00 0.00 H new ATOM 345 N ASN A 25 59.595 18.043 -1.562 1.00 0.00 N ATOM 346 CA ASN A 25 60.425 18.616 -2.653 1.00 0.00 C ATOM 347 C ASN A 25 59.841 19.814 -3.433 1.00 0.00 C ATOM 348 O ASN A 25 60.596 20.616 -3.948 1.00 0.00 O ATOM 349 CB ASN A 25 60.738 17.482 -3.618 1.00 0.00 C ATOM 350 CG ASN A 25 61.445 16.332 -2.888 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.654 16.220 -2.895 1.00 0.00 O ATOM 352 ND2 ASN A 25 60.722 15.457 -2.243 1.00 0.00 N ATOM 0 H ASN A 25 59.650 17.026 -1.500 1.00 0.00 H new ATOM 0 HA ASN A 25 61.303 19.042 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 25 59.816 17.119 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 25 61.369 17.849 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 25 61.173 14.687 -1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 25 59.706 15.544 -2.232 1.00 0.00 H new ATOM 359 N LYS A 26 58.536 19.912 -3.507 1.00 0.00 N ATOM 360 CA LYS A 26 57.887 21.037 -4.240 1.00 0.00 C ATOM 361 C LYS A 26 56.496 21.322 -3.660 1.00 0.00 C ATOM 362 O LYS A 26 55.836 20.436 -3.151 1.00 0.00 O ATOM 363 CB LYS A 26 57.760 20.697 -5.761 1.00 0.00 C ATOM 364 CG LYS A 26 56.927 19.432 -6.111 1.00 0.00 C ATOM 365 CD LYS A 26 57.604 18.119 -5.675 1.00 0.00 C ATOM 366 CE LYS A 26 56.747 16.946 -6.174 1.00 0.00 C ATOM 367 NZ LYS A 26 57.415 15.657 -5.850 1.00 0.00 N ATOM 0 H LYS A 26 57.886 19.249 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 26 58.511 21.923 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 26 57.314 21.553 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 26 58.763 20.572 -6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 26 55.950 19.505 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 56.755 19.405 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 26 58.611 18.056 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 26 57.701 18.084 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 26 55.761 16.981 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 26 56.596 17.027 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 56.695 14.937 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 57.985 15.347 -6.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 58.032 15.784 -5.023 1.00 0.00 H new ATOM 381 N LEU A 27 56.114 22.570 -3.767 1.00 0.00 N ATOM 382 CA LEU A 27 54.787 23.056 -3.260 1.00 0.00 C ATOM 383 C LEU A 27 53.641 22.897 -4.276 1.00 0.00 C ATOM 384 O LEU A 27 52.811 23.761 -4.486 1.00 0.00 O ATOM 385 CB LEU A 27 54.911 24.548 -2.855 1.00 0.00 C ATOM 386 CG LEU A 27 55.816 24.799 -1.604 1.00 0.00 C ATOM 387 CD1 LEU A 27 57.288 24.372 -1.811 1.00 0.00 C ATOM 388 CD2 LEU A 27 55.777 26.304 -1.266 1.00 0.00 C ATOM 0 H LEU A 27 56.684 23.297 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 27 54.531 22.433 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 27 55.312 25.110 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 27 53.915 24.942 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 27 55.421 24.187 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 57.857 24.575 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 27 57.330 23.306 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 27 57.717 24.934 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 27 56.403 26.498 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.149 26.877 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 27 54.751 26.602 -1.049 1.00 0.00 H new ATOM 400 N VAL A 28 53.669 21.744 -4.871 1.00 0.00 N ATOM 401 CA VAL A 28 52.673 21.314 -5.900 1.00 0.00 C ATOM 402 C VAL A 28 52.558 19.810 -5.802 1.00 0.00 C ATOM 403 O VAL A 28 53.526 19.151 -5.472 1.00 0.00 O ATOM 404 CB VAL A 28 53.111 21.651 -7.341 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.153 23.178 -7.559 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.523 21.098 -7.644 1.00 0.00 C ATOM 0 H VAL A 28 54.381 21.039 -4.678 1.00 0.00 H new ATOM 0 HA VAL A 28 51.737 21.838 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 28 52.380 21.190 -8.005 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.464 23.391 -8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.162 23.598 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 28 53.863 23.626 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.802 21.352 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.242 21.537 -6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.522 20.014 -7.527 1.00 0.00 H new ATOM 416 N LEU A 29 51.387 19.309 -6.099 1.00 0.00 N ATOM 417 CA LEU A 29 51.172 17.838 -6.030 1.00 0.00 C ATOM 418 C LEU A 29 52.353 17.110 -6.662 1.00 0.00 C ATOM 419 O LEU A 29 52.949 16.232 -6.074 1.00 0.00 O ATOM 420 CB LEU A 29 49.806 17.567 -6.724 1.00 0.00 C ATOM 421 CG LEU A 29 49.367 16.069 -6.736 1.00 0.00 C ATOM 422 CD1 LEU A 29 47.958 15.961 -7.290 1.00 0.00 C ATOM 423 CD2 LEU A 29 50.260 15.169 -7.632 1.00 0.00 C ATOM 0 H LEU A 29 50.574 19.855 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 29 51.126 17.459 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.036 18.153 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 29 49.859 17.924 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 29 49.446 15.728 -5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 29 47.650 14.916 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 29 47.276 16.535 -6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 29 47.935 16.355 -8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 29 49.897 14.142 -7.593 1.00 0.00 H new ATOM 0 HD22 LEU A 29 50.222 15.528 -8.661 1.00 0.00 H new ATOM 0 HD23 LEU A 29 51.289 15.204 -7.273 1.00 0.00 H new ATOM 435 N CYS A 30 52.645 17.534 -7.850 1.00 0.00 N ATOM 436 CA CYS A 30 53.776 16.947 -8.628 1.00 0.00 C ATOM 437 C CYS A 30 54.260 18.028 -9.608 1.00 0.00 C ATOM 438 O CYS A 30 53.665 19.088 -9.674 1.00 0.00 O ATOM 439 CB CYS A 30 53.254 15.692 -9.345 1.00 0.00 C ATOM 440 SG CYS A 30 54.456 14.660 -10.215 1.00 0.00 S ATOM 0 H CYS A 30 52.141 18.279 -8.331 1.00 0.00 H new ATOM 0 HA CYS A 30 54.616 16.647 -8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.750 15.069 -8.606 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.499 16.007 -10.065 1.00 0.00 H new ATOM 445 N ASP A 31 55.310 17.755 -10.342 1.00 0.00 N ATOM 446 CA ASP A 31 55.840 18.773 -11.314 1.00 0.00 C ATOM 447 C ASP A 31 56.181 18.253 -12.713 1.00 0.00 C ATOM 448 O ASP A 31 56.117 18.999 -13.672 1.00 0.00 O ATOM 449 CB ASP A 31 57.089 19.405 -10.680 1.00 0.00 C ATOM 450 CG ASP A 31 58.122 18.309 -10.350 1.00 0.00 C ATOM 451 OD1 ASP A 31 58.895 17.996 -11.241 1.00 0.00 O ATOM 452 OD2 ASP A 31 58.074 17.847 -9.222 1.00 0.00 O ATOM 0 H ASP A 31 55.825 16.875 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 31 55.034 19.487 -11.485 1.00 0.00 H new ATOM 0 HB2 ASP A 31 57.525 20.134 -11.363 1.00 0.00 H new ATOM 0 HB3 ASP A 31 56.814 19.943 -9.773 1.00 0.00 H new ATOM 457 N LYS A 32 56.534 16.997 -12.785 1.00 0.00 N ATOM 458 CA LYS A 32 56.898 16.361 -14.098 1.00 0.00 C ATOM 459 C LYS A 32 55.843 16.572 -15.207 1.00 0.00 C ATOM 460 O LYS A 32 56.147 16.420 -16.375 1.00 0.00 O ATOM 461 CB LYS A 32 57.118 14.845 -13.865 1.00 0.00 C ATOM 462 CG LYS A 32 55.816 14.177 -13.361 1.00 0.00 C ATOM 463 CD LYS A 32 56.015 12.667 -13.084 1.00 0.00 C ATOM 464 CE LYS A 32 57.059 12.434 -11.971 1.00 0.00 C ATOM 465 NZ LYS A 32 57.194 10.974 -11.710 1.00 0.00 N ATOM 0 H LYS A 32 56.588 16.371 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 32 57.807 16.847 -14.453 1.00 0.00 H new ATOM 0 HB2 LYS A 32 57.440 14.372 -14.793 1.00 0.00 H new ATOM 0 HB3 LYS A 32 57.915 14.695 -13.137 1.00 0.00 H new ATOM 0 HG2 LYS A 32 55.482 14.673 -12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 32 55.029 14.310 -14.103 1.00 0.00 H new ATOM 0 HD2 LYS A 32 55.064 12.220 -12.793 1.00 0.00 H new ATOM 0 HD3 LYS A 32 56.336 12.167 -13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 32 58.021 12.851 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 32 56.756 12.950 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 57.898 10.819 -10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 56.276 10.589 -11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 57.503 10.493 -12.579 1.00 0.00 H new ATOM 479 N LYS A 33 54.643 16.912 -14.807 1.00 0.00 N ATOM 480 CA LYS A 33 53.533 17.149 -15.786 1.00 0.00 C ATOM 481 C LYS A 33 52.588 18.189 -15.177 1.00 0.00 C ATOM 482 O LYS A 33 52.528 18.337 -13.972 1.00 0.00 O ATOM 483 CB LYS A 33 52.777 15.825 -16.029 1.00 0.00 C ATOM 484 CG LYS A 33 51.678 15.902 -17.126 1.00 0.00 C ATOM 485 CD LYS A 33 52.206 15.849 -18.603 1.00 0.00 C ATOM 486 CE LYS A 33 53.175 16.970 -19.026 1.00 0.00 C ATOM 487 NZ LYS A 33 52.550 18.311 -18.854 1.00 0.00 N ATOM 0 H LYS A 33 54.380 17.038 -13.829 1.00 0.00 H new ATOM 0 HA LYS A 33 53.923 17.508 -16.738 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.497 15.056 -16.308 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.317 15.507 -15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.979 15.079 -16.977 1.00 0.00 H new ATOM 0 HG3 LYS A 33 51.116 16.826 -16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 33 52.705 14.892 -18.753 1.00 0.00 H new ATOM 0 HD3 LYS A 33 51.347 15.869 -19.274 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.086 16.911 -18.431 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.465 16.831 -20.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 52.528 18.804 -19.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 51.579 18.199 -18.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 53.106 18.868 -18.174 1.00 0.00 H new ATOM 501 N CYS A 34 51.883 18.874 -16.041 1.00 0.00 N ATOM 502 CA CYS A 34 50.920 19.918 -15.595 1.00 0.00 C ATOM 503 C CYS A 34 49.445 19.530 -15.781 1.00 0.00 C ATOM 504 O CYS A 34 48.787 19.932 -16.724 1.00 0.00 O ATOM 505 CB CYS A 34 51.151 21.217 -16.356 1.00 0.00 C ATOM 506 SG CYS A 34 52.647 22.215 -16.143 1.00 0.00 S ATOM 0 H CYS A 34 51.937 18.750 -17.052 1.00 0.00 H new ATOM 0 HA CYS A 34 51.107 20.035 -14.528 1.00 0.00 H new ATOM 0 HB2 CYS A 34 51.087 20.973 -17.416 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.307 21.867 -16.127 1.00 0.00 H new ATOM 511 N ASN A 35 48.977 18.745 -14.856 1.00 0.00 N ATOM 512 CA ASN A 35 47.544 18.291 -14.902 1.00 0.00 C ATOM 513 C ASN A 35 46.749 19.310 -14.074 1.00 0.00 C ATOM 514 O ASN A 35 47.134 19.621 -12.961 1.00 0.00 O ATOM 515 CB ASN A 35 47.297 16.920 -14.228 1.00 0.00 C ATOM 516 CG ASN A 35 48.242 15.817 -14.708 1.00 0.00 C ATOM 517 OD1 ASN A 35 49.074 15.994 -15.575 1.00 0.00 O ATOM 518 ND2 ASN A 35 48.125 14.650 -14.137 1.00 0.00 N ATOM 0 H ASN A 35 49.517 18.393 -14.066 1.00 0.00 H new ATOM 0 HA ASN A 35 47.257 18.208 -15.950 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.403 17.032 -13.149 1.00 0.00 H new ATOM 0 HB3 ASN A 35 46.269 16.612 -14.418 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.734 13.881 -14.418 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.425 14.506 -13.409 1.00 0.00 H new ATOM 525 N GLN A 36 45.675 19.801 -14.634 1.00 0.00 N ATOM 526 CA GLN A 36 44.831 20.798 -13.908 1.00 0.00 C ATOM 527 C GLN A 36 43.785 20.005 -13.104 1.00 0.00 C ATOM 528 O GLN A 36 42.633 19.901 -13.480 1.00 0.00 O ATOM 529 CB GLN A 36 44.176 21.730 -14.951 1.00 0.00 C ATOM 530 CG GLN A 36 45.281 22.515 -15.692 1.00 0.00 C ATOM 531 CD GLN A 36 44.662 23.465 -16.726 1.00 0.00 C ATOM 532 OE1 GLN A 36 43.626 24.063 -16.511 1.00 0.00 O ATOM 533 NE2 GLN A 36 45.273 23.631 -17.865 1.00 0.00 N ATOM 0 H GLN A 36 45.344 19.554 -15.567 1.00 0.00 H new ATOM 0 HA GLN A 36 45.409 21.419 -13.223 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.589 21.147 -15.660 1.00 0.00 H new ATOM 0 HB3 GLN A 36 43.489 22.420 -14.460 1.00 0.00 H new ATOM 0 HG2 GLN A 36 45.874 23.084 -14.976 1.00 0.00 H new ATOM 0 HG3 GLN A 36 45.959 21.820 -16.187 1.00 0.00 H new ATOM 0 HE21 GLN A 36 46.143 23.133 -18.054 1.00 0.00 H new ATOM 0 HE22 GLN A 36 44.881 24.259 -18.567 1.00 0.00 H new ATOM 542 N ARG A 37 44.255 19.464 -12.005 1.00 0.00 N ATOM 543 CA ARG A 37 43.388 18.649 -11.092 1.00 0.00 C ATOM 544 C ARG A 37 43.726 18.993 -9.629 1.00 0.00 C ATOM 545 O ARG A 37 44.444 19.934 -9.364 1.00 0.00 O ATOM 546 CB ARG A 37 43.665 17.148 -11.324 1.00 0.00 C ATOM 547 CG ARG A 37 43.485 16.738 -12.804 1.00 0.00 C ATOM 548 CD ARG A 37 43.786 15.232 -12.946 1.00 0.00 C ATOM 549 NE ARG A 37 45.195 14.986 -12.492 1.00 0.00 N ATOM 550 CZ ARG A 37 45.584 13.824 -12.023 1.00 0.00 C ATOM 551 NH1 ARG A 37 44.751 12.821 -11.936 1.00 0.00 N ATOM 552 NH2 ARG A 37 46.825 13.705 -11.644 1.00 0.00 N ATOM 0 H ARG A 37 45.223 19.555 -11.696 1.00 0.00 H new ATOM 0 HA ARG A 37 42.340 18.869 -11.297 1.00 0.00 H new ATOM 0 HB2 ARG A 37 44.681 16.915 -11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.993 16.557 -10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 42.468 16.952 -13.133 1.00 0.00 H new ATOM 0 HG3 ARG A 37 44.154 17.318 -13.440 1.00 0.00 H new ATOM 0 HD2 ARG A 37 43.087 14.647 -12.348 1.00 0.00 H new ATOM 0 HD3 ARG A 37 43.661 14.916 -13.982 1.00 0.00 H new ATOM 0 HE ARG A 37 45.872 15.747 -12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 37 43.783 12.935 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 37 45.069 11.924 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 37 47.459 14.501 -11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 37 47.162 12.816 -11.274 1.00 0.00 H new ATOM 566 N CYS A 38 43.191 18.207 -8.726 1.00 0.00 N ATOM 567 CA CYS A 38 43.425 18.397 -7.256 1.00 0.00 C ATOM 568 C CYS A 38 44.921 18.357 -6.898 1.00 0.00 C ATOM 569 O CYS A 38 45.747 17.990 -7.711 1.00 0.00 O ATOM 570 CB CYS A 38 42.686 17.280 -6.503 1.00 0.00 C ATOM 571 SG CYS A 38 43.054 16.983 -4.761 1.00 0.00 S ATOM 0 H CYS A 38 42.584 17.419 -8.952 1.00 0.00 H new ATOM 0 HA CYS A 38 43.050 19.380 -6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.618 17.486 -6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.870 16.349 -7.038 1.00 0.00 H new ATOM 576 N GLY A 39 45.209 18.745 -5.682 1.00 0.00 N ATOM 577 CA GLY A 39 46.610 18.763 -5.176 1.00 0.00 C ATOM 578 C GLY A 39 46.669 19.644 -3.938 1.00 0.00 C ATOM 579 O GLY A 39 45.949 20.622 -3.867 1.00 0.00 O ATOM 0 H GLY A 39 44.513 19.057 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.938 17.752 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.284 19.144 -5.943 1.00 0.00 H new ATOM 583 N CYS A 40 47.512 19.292 -2.992 1.00 0.00 N ATOM 584 CA CYS A 40 47.621 20.115 -1.758 1.00 0.00 C ATOM 585 C CYS A 40 47.900 21.565 -2.119 1.00 0.00 C ATOM 586 O CYS A 40 48.302 21.877 -3.224 1.00 0.00 O ATOM 587 CB CYS A 40 48.736 19.571 -0.878 1.00 0.00 C ATOM 588 SG CYS A 40 48.470 17.967 -0.096 1.00 0.00 S ATOM 0 H CYS A 40 48.122 18.475 -3.027 1.00 0.00 H new ATOM 0 HA CYS A 40 46.679 20.067 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.640 19.505 -1.483 1.00 0.00 H new ATOM 0 HB3 CYS A 40 48.931 20.301 -0.092 1.00 0.00 H new ATOM 593 N ILE A 41 47.684 22.412 -1.158 1.00 0.00 N ATOM 594 CA ILE A 41 47.910 23.861 -1.415 1.00 0.00 C ATOM 595 C ILE A 41 49.417 24.142 -1.496 1.00 0.00 C ATOM 596 O ILE A 41 50.233 23.380 -1.011 1.00 0.00 O ATOM 597 CB ILE A 41 47.267 24.687 -0.271 1.00 0.00 C ATOM 598 CG1 ILE A 41 45.829 24.145 0.038 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.085 26.117 -0.841 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.192 24.876 1.236 1.00 0.00 C ATOM 0 H ILE A 41 47.366 22.172 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 41 47.451 24.145 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 41 47.881 24.643 0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 41 45.197 24.267 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 41 45.880 23.077 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 41 46.634 26.756 -0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.056 26.522 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.437 26.080 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.196 24.473 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.811 24.732 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.118 25.941 1.015 1.00 0.00 H new ATOM 612 N SER A 42 49.718 25.248 -2.121 1.00 0.00 N ATOM 613 CA SER A 42 51.133 25.683 -2.295 1.00 0.00 C ATOM 614 C SER A 42 51.644 26.228 -0.958 1.00 0.00 C ATOM 615 O SER A 42 51.457 27.377 -0.605 1.00 0.00 O ATOM 616 CB SER A 42 51.177 26.758 -3.413 1.00 0.00 C ATOM 617 OG SER A 42 50.309 27.798 -2.982 1.00 0.00 O ATOM 0 H SER A 42 49.028 25.881 -2.526 1.00 0.00 H new ATOM 0 HA SER A 42 51.776 24.854 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 42 52.191 27.130 -3.559 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.849 26.345 -4.367 1.00 0.00 H new ATOM 0 HG SER A 42 50.446 27.963 -2.026 1.00 0.00 H new ATOM 623 N GLY A 43 52.285 25.330 -0.262 1.00 0.00 N ATOM 624 CA GLY A 43 52.868 25.624 1.075 1.00 0.00 C ATOM 625 C GLY A 43 52.698 24.355 1.907 1.00 0.00 C ATOM 626 O GLY A 43 53.502 24.072 2.773 1.00 0.00 O ATOM 0 H GLY A 43 52.433 24.372 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.921 25.894 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.360 26.467 1.544 1.00 0.00 H new ATOM 630 N THR A 44 51.646 23.631 1.605 1.00 0.00 N ATOM 631 CA THR A 44 51.353 22.362 2.334 1.00 0.00 C ATOM 632 C THR A 44 51.858 21.166 1.521 1.00 0.00 C ATOM 633 O THR A 44 52.463 21.322 0.480 1.00 0.00 O ATOM 634 CB THR A 44 49.812 22.219 2.573 1.00 0.00 C ATOM 635 OG1 THR A 44 49.166 22.217 1.300 1.00 0.00 O ATOM 636 CG2 THR A 44 49.237 23.436 3.295 1.00 0.00 C ATOM 0 H THR A 44 50.973 23.870 0.877 1.00 0.00 H new ATOM 0 HA THR A 44 51.862 22.386 3.297 1.00 0.00 H new ATOM 0 HB THR A 44 49.653 21.313 3.157 1.00 0.00 H new ATOM 0 HG1 THR A 44 49.790 22.538 0.616 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.166 23.299 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 44 49.725 23.549 4.263 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.409 24.330 2.695 1.00 0.00 H new ATOM 644 N VAL A 45 51.575 20.015 2.063 1.00 0.00 N ATOM 645 CA VAL A 45 51.942 18.689 1.483 1.00 0.00 C ATOM 646 C VAL A 45 50.990 17.672 2.100 1.00 0.00 C ATOM 647 O VAL A 45 50.740 17.719 3.288 1.00 0.00 O ATOM 648 CB VAL A 45 53.413 18.252 1.824 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.437 19.092 1.083 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.760 18.358 3.325 1.00 0.00 C ATOM 0 H VAL A 45 51.069 19.937 2.945 1.00 0.00 H new ATOM 0 HA VAL A 45 51.872 18.751 0.397 1.00 0.00 H new ATOM 0 HB VAL A 45 53.455 17.208 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.441 18.758 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.288 18.983 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.318 20.139 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.790 18.040 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.644 19.391 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.090 17.718 3.899 1.00 0.00 H new ATOM 660 N LEU A 46 50.488 16.786 1.277 1.00 0.00 N ATOM 661 CA LEU A 46 49.539 15.735 1.758 1.00 0.00 C ATOM 662 C LEU A 46 50.236 14.949 2.876 1.00 0.00 C ATOM 663 O LEU A 46 51.076 14.116 2.607 1.00 0.00 O ATOM 664 CB LEU A 46 49.180 14.824 0.555 1.00 0.00 C ATOM 665 CG LEU A 46 48.107 13.762 0.905 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.770 14.459 1.244 1.00 0.00 C ATOM 667 CD2 LEU A 46 47.913 12.822 -0.306 1.00 0.00 C ATOM 0 H LEU A 46 50.698 16.746 0.280 1.00 0.00 H new ATOM 0 HA LEU A 46 48.617 16.162 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 46 48.819 15.441 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.081 14.321 0.204 1.00 0.00 H new ATOM 0 HG LEU A 46 48.433 13.184 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.020 13.707 1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.912 15.122 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.434 15.040 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.159 12.072 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.586 13.403 -1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 46 48.856 12.328 -0.538 1.00 0.00 H new ATOM 679 N LYS A 47 49.842 15.275 4.083 1.00 0.00 N ATOM 680 CA LYS A 47 50.360 14.668 5.356 1.00 0.00 C ATOM 681 C LYS A 47 51.191 13.378 5.214 1.00 0.00 C ATOM 682 O LYS A 47 52.272 13.293 5.763 1.00 0.00 O ATOM 683 CB LYS A 47 49.114 14.466 6.237 1.00 0.00 C ATOM 684 CG LYS A 47 49.456 13.848 7.604 1.00 0.00 C ATOM 685 CD LYS A 47 48.171 13.702 8.464 1.00 0.00 C ATOM 686 CE LYS A 47 47.523 15.080 8.745 1.00 0.00 C ATOM 687 NZ LYS A 47 46.304 14.903 9.581 1.00 0.00 N ATOM 0 H LYS A 47 49.132 15.988 4.247 1.00 0.00 H new ATOM 0 HA LYS A 47 51.095 15.343 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.620 15.426 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.405 13.821 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.921 12.872 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.181 14.475 8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.457 13.060 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 48.416 13.214 9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 47 48.234 15.729 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 47 47.263 15.568 7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 45.873 15.831 9.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 45.623 14.299 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.564 14.455 10.483 1.00 0.00 H new ATOM 701 N SER A 48 50.672 12.419 4.492 1.00 0.00 N ATOM 702 CA SER A 48 51.402 11.128 4.290 1.00 0.00 C ATOM 703 C SER A 48 51.349 10.731 2.823 1.00 0.00 C ATOM 704 O SER A 48 50.733 11.411 2.023 1.00 0.00 O ATOM 705 CB SER A 48 50.748 10.034 5.153 1.00 0.00 C ATOM 706 OG SER A 48 50.869 10.523 6.480 1.00 0.00 O ATOM 0 H SER A 48 49.765 12.474 4.029 1.00 0.00 H new ATOM 0 HA SER A 48 52.444 11.248 4.586 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.704 9.880 4.878 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.254 9.076 5.033 1.00 0.00 H new ATOM 0 HG SER A 48 50.471 9.880 7.103 1.00 0.00 H new ATOM 712 N LYS A 49 52.010 9.633 2.539 1.00 0.00 N ATOM 713 CA LYS A 49 52.092 9.058 1.158 1.00 0.00 C ATOM 714 C LYS A 49 50.747 9.154 0.418 1.00 0.00 C ATOM 715 O LYS A 49 50.712 9.250 -0.793 1.00 0.00 O ATOM 716 CB LYS A 49 52.541 7.588 1.291 1.00 0.00 C ATOM 717 CG LYS A 49 52.687 6.926 -0.099 1.00 0.00 C ATOM 718 CD LYS A 49 53.164 5.468 0.080 1.00 0.00 C ATOM 719 CE LYS A 49 53.308 4.792 -1.297 1.00 0.00 C ATOM 720 NZ LYS A 49 54.309 5.519 -2.129 1.00 0.00 N ATOM 0 H LYS A 49 52.517 9.091 3.239 1.00 0.00 H new ATOM 0 HA LYS A 49 52.809 9.627 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.492 7.541 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 51.815 7.035 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 49 51.734 6.947 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 49 53.400 7.483 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.119 5.450 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 49 52.452 4.916 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 49 53.616 3.754 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 49 52.344 4.778 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 54.598 4.919 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 53.887 6.398 -2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 55.142 5.748 -1.549 1.00 0.00 H new ATOM 734 N ASP A 50 49.687 9.129 1.189 1.00 0.00 N ATOM 735 CA ASP A 50 48.318 9.213 0.601 1.00 0.00 C ATOM 736 C ASP A 50 47.282 9.520 1.703 1.00 0.00 C ATOM 737 O ASP A 50 46.364 8.758 1.941 1.00 0.00 O ATOM 738 CB ASP A 50 48.009 7.858 -0.108 1.00 0.00 C ATOM 739 CG ASP A 50 46.630 7.911 -0.795 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.516 8.698 -1.721 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.768 7.164 -0.359 1.00 0.00 O ATOM 0 H ASP A 50 49.714 9.054 2.206 1.00 0.00 H new ATOM 0 HA ASP A 50 48.264 10.022 -0.128 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.782 7.642 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 50 48.028 7.047 0.620 1.00 0.00 H new ATOM 746 N SER A 51 47.463 10.644 2.354 1.00 0.00 N ATOM 747 CA SER A 51 46.527 11.060 3.446 1.00 0.00 C ATOM 748 C SER A 51 45.289 11.724 2.785 1.00 0.00 C ATOM 749 O SER A 51 44.980 11.438 1.644 1.00 0.00 O ATOM 750 CB SER A 51 47.319 12.026 4.355 1.00 0.00 C ATOM 751 OG SER A 51 46.470 12.335 5.451 1.00 0.00 O ATOM 0 H SER A 51 48.226 11.297 2.174 1.00 0.00 H new ATOM 0 HA SER A 51 46.163 10.231 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.244 11.564 4.699 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.597 12.930 3.812 1.00 0.00 H new ATOM 0 HG SER A 51 46.724 11.790 6.225 1.00 0.00 H new ATOM 757 N SER A 52 44.616 12.581 3.511 1.00 0.00 N ATOM 758 CA SER A 52 43.404 13.295 2.993 1.00 0.00 C ATOM 759 C SER A 52 43.377 14.720 3.594 1.00 0.00 C ATOM 760 O SER A 52 42.387 15.420 3.510 1.00 0.00 O ATOM 761 CB SER A 52 42.161 12.479 3.409 1.00 0.00 C ATOM 762 OG SER A 52 41.056 13.170 2.843 1.00 0.00 O ATOM 0 H SER A 52 44.863 12.824 4.470 1.00 0.00 H new ATOM 0 HA SER A 52 43.419 13.385 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 52 42.219 11.456 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.074 12.419 4.494 1.00 0.00 H new ATOM 0 HG SER A 52 41.141 14.129 3.027 1.00 0.00 H new ATOM 768 N GLU A 53 44.482 15.101 4.185 1.00 0.00 N ATOM 769 CA GLU A 53 44.610 16.454 4.814 1.00 0.00 C ATOM 770 C GLU A 53 46.075 16.838 4.528 1.00 0.00 C ATOM 771 O GLU A 53 46.948 15.993 4.610 1.00 0.00 O ATOM 772 CB GLU A 53 44.329 16.313 6.330 1.00 0.00 C ATOM 773 CG GLU A 53 44.098 17.688 7.011 1.00 0.00 C ATOM 774 CD GLU A 53 45.284 18.644 6.833 1.00 0.00 C ATOM 775 OE1 GLU A 53 46.354 18.286 7.294 1.00 0.00 O ATOM 776 OE2 GLU A 53 45.047 19.685 6.240 1.00 0.00 O ATOM 0 H GLU A 53 45.317 14.521 4.260 1.00 0.00 H new ATOM 0 HA GLU A 53 43.919 17.208 4.436 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.452 15.683 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 53 45.168 15.808 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.201 18.148 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.916 17.536 8.075 1.00 0.00 H new ATOM 783 N CYS A 54 46.308 18.085 4.204 1.00 0.00 N ATOM 784 CA CYS A 54 47.699 18.548 3.903 1.00 0.00 C ATOM 785 C CYS A 54 48.242 19.514 4.967 1.00 0.00 C ATOM 786 O CYS A 54 47.564 20.421 5.406 1.00 0.00 O ATOM 787 CB CYS A 54 47.688 19.252 2.561 1.00 0.00 C ATOM 788 SG CYS A 54 46.944 18.400 1.151 1.00 0.00 S ATOM 0 H CYS A 54 45.591 18.807 4.134 1.00 0.00 H new ATOM 0 HA CYS A 54 48.350 17.673 3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.167 20.201 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.720 19.487 2.301 1.00 0.00 H new ATOM 793 N VAL A 55 49.470 19.266 5.335 1.00 0.00 N ATOM 794 CA VAL A 55 50.202 20.081 6.356 1.00 0.00 C ATOM 795 C VAL A 55 51.466 20.675 5.731 1.00 0.00 C ATOM 796 O VAL A 55 51.929 20.182 4.726 1.00 0.00 O ATOM 797 CB VAL A 55 50.615 19.193 7.552 1.00 0.00 C ATOM 798 CG1 VAL A 55 49.374 18.729 8.333 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.322 17.920 7.034 1.00 0.00 C ATOM 0 H VAL A 55 50.022 18.498 4.953 1.00 0.00 H new ATOM 0 HA VAL A 55 49.543 20.878 6.701 1.00 0.00 H new ATOM 0 HB VAL A 55 51.273 19.780 8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.684 18.105 9.171 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.834 19.598 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.723 18.154 7.674 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.612 17.296 7.879 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.643 17.364 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.211 18.202 6.469 1.00 0.00 H new ATOM 809 N HIS A 56 51.991 21.712 6.331 1.00 0.00 N ATOM 810 CA HIS A 56 53.233 22.353 5.793 1.00 0.00 C ATOM 811 C HIS A 56 54.449 21.482 6.149 1.00 0.00 C ATOM 812 O HIS A 56 54.385 20.713 7.088 1.00 0.00 O ATOM 813 CB HIS A 56 53.373 23.754 6.410 1.00 0.00 C ATOM 814 CG HIS A 56 52.185 24.613 5.969 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.175 25.374 4.924 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.927 24.778 6.523 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.027 25.964 4.824 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.220 25.622 5.797 1.00 0.00 N ATOM 0 H HIS A 56 51.613 22.145 7.173 1.00 0.00 H new ATOM 0 HA HIS A 56 53.175 22.444 4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.405 23.685 7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.309 24.214 6.092 1.00 0.00 H new ATOM 0 HD1 HIS A 56 52.954 25.492 4.276 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.576 24.287 7.419 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.767 26.654 4.035 1.00 0.00 H new ATOM 826 N PRO A 57 55.523 21.617 5.399 1.00 0.00 N ATOM 827 CA PRO A 57 56.768 20.868 5.666 1.00 0.00 C ATOM 828 C PRO A 57 57.328 21.194 7.059 1.00 0.00 C ATOM 829 O PRO A 57 57.997 20.378 7.663 1.00 0.00 O ATOM 830 CB PRO A 57 57.721 21.352 4.554 1.00 0.00 C ATOM 831 CG PRO A 57 57.162 22.655 4.115 1.00 0.00 C ATOM 832 CD PRO A 57 55.681 22.494 4.219 1.00 0.00 C ATOM 0 HA PRO A 57 56.622 19.788 5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.739 21.464 4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.760 20.640 3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.516 23.470 4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.463 22.890 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.180 23.452 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.260 22.042 3.321 1.00 0.00 H new ATOM 840 N SER A 58 57.013 22.387 7.497 1.00 0.00 N ATOM 841 CA SER A 58 57.461 22.889 8.830 1.00 0.00 C ATOM 842 C SER A 58 56.701 22.201 9.976 1.00 0.00 C ATOM 843 O SER A 58 57.198 22.120 11.083 1.00 0.00 O ATOM 844 CB SER A 58 57.227 24.409 8.874 1.00 0.00 C ATOM 845 OG SER A 58 55.829 24.567 8.668 1.00 0.00 O ATOM 0 H SER A 58 56.447 23.052 6.969 1.00 0.00 H new ATOM 0 HA SER A 58 58.519 22.661 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.536 24.829 9.831 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.801 24.920 8.101 1.00 0.00 H new ATOM 0 HG SER A 58 55.601 25.520 8.685 1.00 0.00 H new ATOM 851 N LYS A 59 55.519 21.726 9.668 1.00 0.00 N ATOM 852 CA LYS A 59 54.675 21.034 10.694 1.00 0.00 C ATOM 853 C LYS A 59 55.091 19.578 10.711 1.00 0.00 C ATOM 854 O LYS A 59 55.350 19.002 11.751 1.00 0.00 O ATOM 855 CB LYS A 59 53.201 21.047 10.331 1.00 0.00 C ATOM 856 CG LYS A 59 52.656 22.456 10.167 1.00 0.00 C ATOM 857 CD LYS A 59 51.187 22.336 9.712 1.00 0.00 C ATOM 858 CE LYS A 59 50.279 21.695 10.786 1.00 0.00 C ATOM 859 NZ LYS A 59 50.311 22.502 12.037 1.00 0.00 N ATOM 0 H LYS A 59 55.098 21.788 8.741 1.00 0.00 H new ATOM 0 HA LYS A 59 54.814 21.546 11.646 1.00 0.00 H new ATOM 0 HB2 LYS A 59 53.053 20.493 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.635 20.529 11.105 1.00 0.00 H new ATOM 0 HG2 LYS A 59 52.723 23.004 11.107 1.00 0.00 H new ATOM 0 HG3 LYS A 59 53.241 23.010 9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 59 50.806 23.327 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 59 51.141 21.740 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 59 49.256 21.628 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.611 20.678 10.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 49.522 22.220 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 51.211 22.340 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 50.222 23.511 11.802 1.00 0.00 H new ATOM 873 N CYS A 60 55.128 19.056 9.510 1.00 0.00 N ATOM 874 CA CYS A 60 55.505 17.642 9.284 1.00 0.00 C ATOM 875 C CYS A 60 56.677 17.172 10.173 1.00 0.00 C ATOM 876 O CYS A 60 56.502 16.142 10.802 1.00 0.00 O ATOM 877 CB CYS A 60 55.894 17.451 7.811 1.00 0.00 C ATOM 878 SG CYS A 60 54.663 17.542 6.490 1.00 0.00 S ATOM 879 OXT CYS A 60 57.678 17.873 10.171 1.00 0.00 O ATOM 0 H CYS A 60 54.905 19.572 8.659 1.00 0.00 H new ATOM 0 HA CYS A 60 54.637 17.039 9.549 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.657 18.196 7.585 1.00 0.00 H new ATOM 0 HB3 CYS A 60 56.371 16.474 7.733 1.00 0.00 H new TER 884 CYS A 60